[phenixbb] Questions about the Autosol water placing option

Kaibo Zhang zhang644 at purdue.edu
Wed Mar 7 11:53:42 PST 2018

I was using AutoSol GUI for MR-SAD of my data and trying to  turn off
"place waters in refinement". However, the output pdb files still got
waters in them. I did check the run log file and confirmed both the
"place_waters" and the "flood_with_waters" flags were set to false. But in
the later session, it still recorded "adding waters in refinement".

Is there any parameters I should adjust to avoid adding waters during the
Autosol run. Or is it just turned on in the end in order to calculate
R_work/free, and doesn't affect your phasing solution?

Look forward to your responses. Thank you in advance!


PULSe, Purdue University
Hockmeyer Hall, Room 321
240 S. Martin Jischke Drive, West Lafayette, IN 47907
Telephone: 765-337-1955
E-mail: zhang644 at purdue.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20180307/2a00e82b/attachment.htm>

More information about the phenixbb mailing list